Compound Identification
SMILES
ClC1=CC=CC=C1NC1=NC(=CS1)C(=O)OCC(=O)C1=CC=CC=C1
InChIKey
InChIKey=ANOQAOKJCKSKPU-UHFFFAOYSA-N
Formula
C18H13ClN2O3S
Mass
372.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Thiazolecarboxylic acids and derivatives Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives 2,4-disubstituted thiazoles Chlorobenzenes 2-amino-1,3-thiazoles Aryl chlorides Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - Thiazolecarboxylic acid or derivatives - Aryl alkyl ketone - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-thiazol-2-amine - Thiazole - Azole - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Secondary amine - Azacycle - Carboxylic acid derivative - Organochloride - Organonitrogen compound - Amine - Organic oxide - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available